Compound Detail
CHEMBL490843
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL490843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BADPXOSJBUEVTR-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
4.66
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.2
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine-binding protein CHEMBL6084 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein | Ki | = | 63.1 | nM | 7.2 | Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP | 19331415 |
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 210.0 | nM | 6.68 | Activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as inh... | 19331415 |
| Unchecked | Ki | = | 501.19 | nM | 6.3 | Displacement of [3H]epibatidine from Aplysia californica AchBP | 19331415 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 880.0 | nM | 6.06 | Activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as inhibiti... | 19331415 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 1995.26 | nM | 5.7 | Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in hu... | 19331415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19331415 | 10.1021/jm801400g | Neuronal acetylcholine receptor subunit alpha-7 | 4 |
| 19331415 | 10.1021/jm801400g | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 19331415 | 10.1021/jm801400g | Acetylcholine-binding protein | 1 |
| 19331415 | 10.1021/jm801400g | Unchecked | 1 |
| 19331415 | 10.1021/jm801400g | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine